Cyclobutane-1,2-dicarboxylic acid, diisopropyl ester, (Z)-
Basic information
- CAS
64011-76-3- Standard SMILES
CC(C)OC(=O)[C@H]1CC[C@H]1C(=O)OC(C)C- InChIKey
OJDSRYHETADDNR-AOOOYVTPSA-N- Molecular formula
- C12H20O4
- Average molar mass
- 228.28 g/mol
- Monoisotopic mass
- 228.13615911
Names & identifiers
- Preferred name
- Cyclobutane-1,2-dicarboxylic acid, diisopropyl ester, (Z)-
- IUPAC
- cis-dipropan-2-yl (1R,2S)-cyclobutane-1,2-dicarboxylate
- English name
- 1α,2α-Cyclobutanedicarboxylic acid diisopropyl ester
- Molecular formula
- C12H20O4
- Molecular weight
- 228.29
Names & synonyms
USAF ST-34cis-l,2-Diisopropylcyclobutanedicarboxylate64011-76-3CYCLOBUTANE-1,2-DICARBOXYLIC ACID, DIISOPROPYL ESTER, (Z)-DTXSID20213998RefChem:334909DTXCID50136489Di(propan-2-yl) (1R,2S)-cyclobutane-1,2-dicarboxylate1α,2α-Cyclobutanedicarboxylic acid diisopropyl ester1,2-Cyclobutanedicarboxylic acid, bis(1-methylethyl) ester, cis- (9CI)
Database identifiers
- CAS
64011-76-3- PubChem CID
- 46344
- DTXSID
DTXSID20213998- Nikkaji
- J67.767A
Properties
Computed structural properties
- XLogP
- 2
- Topological polar surface area
- 52.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 242
Physicochemical properties
- Boiling point
- 285.8 · 285.8±15.0 °C(Predicted)
- Density
- 1.071 · 1.071±0.06 g/cm3(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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